2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C22H21N7S — CID 25342211

IUPAC2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(N4CCN(Cc5cn6ccccc6n5)CC4)sc3n2)cc1
InChIInChI=1S/C22H21N7S/c1-2-6-17(7-3-1)19-16-29-21(24-19)30-22(25-29)27-12-10-26(11-13-27)14-18-15-28-9-5-4-8-20(28)23-18/h1-9,15-16H,10-14H2
InChIKeyMZLUHAGDMVQQFT-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.43
Rot. Bonds4

About 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 25342211) has the molecular formula C22H21N7S and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID25342211
Molecular FormulaC22H21N7S
Molecular Weight415.53 g/mol
Exact Mass415.16
IUPAC Name2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(N4CCN(Cc5cn6ccccc6n5)CC4)sc3n2)cc1
InChIInChI=1S/C22H21N7S/c1-2-6-17(7-3-1)19-16-29-21(24-19)30-22(25-29)27-12-10-26(11-13-27)14-18-15-28-9-5-4-8-20(28)23-18/h1-9,15-16H,10-14H2
InChIKeyMZLUHAGDMVQQFT-UHFFFAOYSA-N
XLogP3.43
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 25342211) is 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2cn3nc(N4CCN(Cc5cn6ccccc6n5)CC4)sc3n2)cc1.
What is the InChIKey of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MZLUHAGDMVQQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7S/c1-2-6-17(7-3-1)19-16-29-21(24-19)30-22(25-29)27-12-10-26(11-13-27)14-18-15-28-9-5-4-8-20(28)23-18/h1-9,15-16H,10-14H2.
What are the key properties of 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 415.53 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 25342211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).